2-[3,4-bis(trifluoromethyl)phenyl]acetic acid

C10H6F6O2 — CID 88925374

IUPAC2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyANWWCIFHSMVRKG-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.35
Rot. Bonds2

About 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid

2-[3,4-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 88925374) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID88925374
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H,17,18)
InChIKeyANWWCIFHSMVRKG-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-[3,4-bis(trifluoromethyl)phenyl]acetamide
CID 87509957
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
2-[3-nitro-4-(trifluoromethyl)phenyl]acetic acid
CID 70701202
2-[3-phenoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 163778981
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetic acid
CID 159866022
2-[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883083
2-(3-bromo-4-tert-butylphenyl)acetic acid
CID 84809323
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
CID 165042761
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
2-[2-chloro-6-fluoro-3-(trifluoromethyl)phenyl]acetic acid
CID 119006326

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid (CID 88925374) is 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ANWWCIFHSMVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H,17,18).
What are the key properties of 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid?
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 272.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 88925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).